Symmetry-breaking transitions in the early steps of protein self-assembly (198 views)
Eur Biophys J (ISSN: 0175-7571linking, 1432-1017), 2020 Mar; 49(2): 175-191.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 2.094, 5-year impact factor: 2.369
Url: Not available.
Keywords: Colloids Chemistry, Computer Simulation, Electrolytes, Humans, Islet Amyloid Polypeptide Chemistry, Kinetics, Models, Theoretical, Molecular Dynamics Simulation, Peptides Chemistry, Protein Denaturation, Protein Folding, Protein Multimerization, Protein Structure, Secondary, Reproducibility Of Results, Solvents, Spectrum Analysis, Raman, Thermodynamics, Analytical Model, Intrinsically Disordered Proteins, Oligomers, Symmetry-Breaking,
Affiliations:
*** IBB - CNR ***
Department of Chemical Sciences, University of Catania, Viale A. Doria 6, 95125, Catania, Italy.
Department of Physics, University of Helsinki, P.O. Box 64, 00014, Helsinki, Finland.
Heidelberg University Biochemistry Center, Heidelberg, Germany.
Unità Organizzativa e di Supporto di Catania, CNR, Istituto di Biostrutture e Bioimmagini, Via P. Gaifami 18, 95126, Catania, Italy.
Istituto Italiano di Tecnologia (IIT), Via Morego 30, 16163, Genoa, Italy.
Randall Division of Cell and Molecular Biophysics, Guy's Campus, New Hunt's House King's College London, London, SE1 1UL, UK.
Virologie et Immunologie Moléculaires, Institut National de la Recherche Agronomique, 78352, Jouy-en-Josas, France.
Institute of Complex Systems, Structural Biochemistry (ICS-6), ForschungszentrumJülich, 52425, Jülich, Germany.
References:
Not available.
Eur Biophys J (ISSN: 0175-7571linking, 1432-1017), 2020 Mar; 49(2): 175-191.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 2.094, 5-year impact factor: 2.369
Url: Not available.
Keywords: Colloids Chemistry, Computer Simulation, Electrolytes, Humans, Islet Amyloid Polypeptide Chemistry, Kinetics, Models, Theoretical, Molecular Dynamics Simulation, Peptides Chemistry, Protein Denaturation, Protein Folding, Protein Multimerization, Protein Structure, Secondary, Reproducibility Of Results, Solvents, Spectrum Analysis, Raman, Thermodynamics, Analytical Model, Intrinsically Disordered Proteins, Oligomers, Symmetry-Breaking,
Affiliations:
*** IBB - CNR ***
Department of Chemical Sciences, University of Catania, Viale A. Doria 6, 95125, Catania, Italy.
Department of Physics, University of Helsinki, P.O. Box 64, 00014, Helsinki, Finland.
Heidelberg University Biochemistry Center, Heidelberg, Germany.
Unità Organizzativa e di Supporto di Catania, CNR, Istituto di Biostrutture e Bioimmagini, Via P. Gaifami 18, 95126, Catania, Italy.
Istituto Italiano di Tecnologia (IIT), Via Morego 30, 16163, Genoa, Italy.
Randall Division of Cell and Molecular Biophysics, Guy's Campus, New Hunt's House King's College London, London, SE1 1UL, UK.
Virologie et Immunologie Moléculaires, Institut National de la Recherche Agronomique, 78352, Jouy-en-Josas, France.
Institute of Complex Systems, Structural Biochemistry (ICS-6), ForschungszentrumJülich, 52425, Jülich, Germany.
References:
Not available.
Symmetry-breaking transitions in the early steps of protein self-assembly
Protein misfolding and subsequent self-association are complex, intertwined processes, resulting in development of a heterogeneous population of aggregates closely related to many chronic pathological conditions including Type 2 Diabetes Mellitus and Alzheimer's disease. To address this issue, here, we develop a theoretical model in the general framework of linear stability analysis. According to this model, self-assemblies of peptides with pronounced conformational flexibility may become, under particular conditions, unstable and spontaneously evolve toward an alternating array of partially ordered and disordered monomers. The predictions of the theory were verified by atomistic molecular dynamics (MD) simulations of islet amyloid polypeptide (IAPP) used as a paradigm of aggregation-prone polypeptides (proteins). Simulations of dimeric, tetrameric, and hexameric human-IAPP self-assemblies at physiological electrolyte concentration reveal an alternating distribution of the smallest domains (of the order of the peptide mean length) formed by partially ordered (mainly β-strands) and disordered (turns and coil) arrays. Periodicity disappears upon weakening of the inter-peptide binding, a result in line with the predictions of the theory. To further probe the general validity of our hypothesis, we extended the simulations to other peptides, the Aβ(1-40) amyloid peptide, and the ovine prion peptide as well as to other proteins (SOD1 dimer) that do not belong to the broad class of intrinsically disordered proteins. In all cases, the oligomeric aggregates show an alternate distribution of partially ordered and disordered monomers. We also carried out Surface Enhanced Raman Scattering (SERS) measurements of hIAPP as an experimental validation of both the theory and in silico simulations.
Protein misfolding and subsequent self-association are complex, intertwined processes, resulting in development of a heterogeneous population of aggregates closely related to many chronic pathological conditions including Type 2 Diabetes Mellitus and Alzheimer's disease. To address this issue, here, we develop a theoretical model in the general framework of linear stability analysis. According to this model, self-assemblies of peptides with pronounced conformational flexibility may become, under particular conditions, unstable and spontaneously evolve toward an alternating array of partially ordered and disordered monomers. The predictions of the theory were verified by atomistic molecular dynamics (MD) simulations of islet amyloid polypeptide (IAPP) used as a paradigm of aggregation-prone polypeptides (proteins). Simulations of dimeric, tetrameric, and hexameric human-IAPP self-assemblies at physiological electrolyte concentration reveal an alternating distribution of the smallest domains (of the order of the peptide mean length) formed by partially ordered (mainly β-strands) and disordered (turns and coil) arrays. Periodicity disappears upon weakening of the inter-peptide binding, a result in line with the predictions of the theory. To further probe the general validity of our hypothesis, we extended the simulations to other peptides, the Aβ(1-40) amyloid peptide, and the ovine prion peptide as well as to other proteins (SOD1 dimer) that do not belong to the broad class of intrinsically disordered proteins. In all cases, the oligomeric aggregates show an alternate distribution of partially ordered and disordered monomers. We also carried out Surface Enhanced Raman Scattering (SERS) measurements of hIAPP as an experimental validation of both the theory and in silico simulations.
Symmetry-breaking transitions in the early steps of protein self-assembly
| ▼ Molecular dynamics simulation approach to study UV-induced DNA damage |
Symmetry-breaking transitions in the early steps of protein self-assembly
Other filter: ([btitle,keywords] "Colloids Chemistry" ...
Pagnozzi D, Pala N, Biosa G, Dallocchio R, Dessì A, Singh PK, Rogolino D, Di Fiore A, De Simone G, Supuran CT, Sechi M
* Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches (111 views)
Acs Med Chem Lett, 2022; 13: 271-277.
Impact Factor: 4.632
View Export to BibTeX Export to EndNote
Mulliri S, Laaksonen A, Spanu P, Farris R, Farci M, Mingoia F, Roviello GN, Mocci F
* Spectroscopic and In Silico Studies on the Interaction of Substituted Pyrazolo[1, 2-a]benzo[1, 2, 3, 4]tetrazine-3-one Derivatives with c-Myc G4-DNA (191 views)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596), 2021 Jun 2; 22(11): 6028-6028.
Impact Factor: 5.923
View Export to BibTeX Export to EndNote
Villano D, Romdhane F, Irrera P, Consolino L, Anemone A, Zaiss M, Dastrù W, Longo DL
* A fast multislice sequence for 3D MRI-CEST pH imaging (173 views)
Magn Reson Med (ISSN: 0740-3194linking, 1522-2594electronic), 2021 Mar; 85(3): 1335-1349.
Impact Factor: 3.635
View Export to BibTeX Export to EndNote
Palma G, Monti S, Cella L
* Voxel-based analysis in radiation oncology: A methodological cookbook (120 views)
Phys Med (ISSN: 1120-1797linking), 2020 Jan; 69: 192-204.
Impact Factor: 2.485
View Export to BibTeX Export to EndNote
Zaiss M, Anemone A, Goerke S, Longo DL, Herz K, Pohmann R, Aime S, Rivlin M, Navon G, Golay X, Scheffler K
* Quantification of hydroxyl exchange of D-Glucose at physiological conditions for optimization of glucoCEST MRI at 3, 7 and 9. 4 Tesla (237 views)
Nmr Biomed (ISSN: 0952-3480linking, 1099-1492electronic), 2019 Sep; 32(9): e4113-e4113.
Impact Factor: 2.983
View Export to BibTeX Export to EndNote
Palma G, Monti S, Conson M, Pacelli R, Cella L
* Normal tissue complication probability (NTCP) models for modern radiation therapy (182 views)
Semin Oncol (ISSN: 0093-7754linking), 2019 Jun; 46(3): 210-218.
Impact Factor: 3.606
View Export to BibTeX Export to EndNote
Kujawa A, Kim M, Demetriou E, Anemone A, Livio Longo D, Zaiss M, Golay X
* Assessment of a clinically feasible Bayesian fitting algorithm using a simplified description of Chemical Exchange Saturation Transfer (CEST) imaging (89 views)
J Magn Reson (ISSN: 1090-7807linking), 2019 Mar; 300: 120-134.
Impact Factor: 2.586
View Export to BibTeX Export to EndNote
Perrella F, Raucci U, Chiariello MG, Chino M, Maglio O, Lombardi A, Rega N
* Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation (317 views)
Biopolymers (ISSN: 1097-0282electronic, 0006-3525linking, 0006-3525print), 2018 Aug; 109(10): e23225-e23225.
Impact Factor: 1.908
View Export to BibTeX Export to EndNote
Monti S, Pacelli R, Cella L, Palma G
* Inter-patient image registration algorithms to disentangle regional dose bioeffects (369 views) (PDF 176 views)
Sci Rep (ISSN: 2045-2322linking, 2045-2322electronic), 2018 Mar 20; 8(1): 4915-4918.
Impact Factor: 4.259
View Export to BibTeX Export to EndNote
Magrì A, Tabbì G, Breglia R, De Gioia L, Fantucci P, Bruschi M, Bonomo RP, La Mendola D
* Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation (573 views) (PDF 197 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Jul 04; 46(26): 8524-8538.
Impact Factor: 4.099
View Export to BibTeX Export to EndNote
Balasco N, Esposito L, Thind AS, Guarracino MR, Vitagliano L
* Dissection of Factors Affecting the Variability of the Peptide Bond Geometry and Planarity (689 views)
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2017; 2017: 2617629-2617629.
Impact Factor: 2.583
View Export to BibTeX Export to EndNote
Esposito R, Calvanese L, Cucciolito ME, D'Auria G, Falcigno L, Fiorini V, Pezzella P, Roviello G, Stagni S, Talarico G, Ruffo F
* Oxidative coupling of imino, amide platinum(II) complexes yields highly conjugated blue dimers (310 views)
Organometallics (ISSN: 0276-7333), 2017; 36(2): 384-390.
Impact Factor: 4.051
View Export to BibTeX Export to EndNote
Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
* A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases (396 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
View Export to BibTeX Export to EndNote
D'Avino V, Palma G, Liuzzi R, Conson M, Doria F, Salvatore M, Pacelli R, Cella L
* Prediction of gastrointestinal toxicity after external beam radiotherapy for localized prostate cancer (525 views)
Radiat Oncol (ISSN: 1748-717x), 2015 Apr 8; 10(1): 80-80.
Impact Factor: 2.466
View Export to BibTeX Export to EndNote
De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
* Cullin3 - BTB interface: A novel target for stapled peptides (803 views) (PDF 61 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 Apr 7; 10(4): e0121149-e0121149.
Impact Factor: 3.057
View Export to BibTeX Export to EndNote
Pica A, Graziano G
* On the effect of sodium chloride and sodium sulfate on cold denaturation (429 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015; 10(7): N/D-N/D.
Impact Factor: 3.057
View Export to BibTeX Export to EndNote
Monti S, Palma G, Ragucci M, Mannelli L, Mancini M, Prinster A
* Optimization of tagged MRI for quantification of liver stiffness using computer simulated data (1059 views) (PDF 206 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 31; 9(10): e111852-e111852.
Impact Factor: 3.234
View Export to BibTeX Export to EndNote
Pedicini P, Fiorentino A, Simeon V, Tini P, Chiumento C, Pirtoli L, Salvatore M, Storto G
* Clinical radiobiology of glioblastoma multiforme: estimation of tumor control probability from various radiotherapy fractionation schemes (497 views)
Strahlenther Onkol (ISSN: 0179-7158, 0179-7158linking), 2014 Oct; 190(10): 925-932.
Impact Factor: 2.914
View Export to BibTeX Export to EndNote
Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
* Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (467 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
View Export to BibTeX Export to EndNote
Zhang Y, Improta R, Kohler B
Mode-specific vibrational relaxation of photoexcited guanosine 5'-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical study (341 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014 Jan 28; 16(4): 1487-1499.
Impact Factor: 4.493
View Export to BibTeX Export to EndNote
Fratini A, Bifulco P, Romano M, Clemente F, Cesarelli M
* Simulation of surface EMG for the analysis of muscle activity during whole body vibratory stimulation (824 views)
Comput Meth Prog Bio (ISSN: 0169-2607), 2014 Jan; 113(1): 314-322.
Impact Factor: 1.897
View Export to BibTeX Export to EndNote
Galdiero S, Falanga A, Cantisani M, Vitiello M, Morelli G, Galdiero M
* Peptide-Lipid Interactions: Experiments and Applications (1391 views)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 Sep; 14(9): 18758-18789.
Impact Factor: 2.339
View Export to BibTeX Export to EndNote
De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (830 views)
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.
Impact Factor: 2.983
View Export to BibTeX Export to EndNote
Cammisa M, Correra A, Andreotti G, Cubellis MV
* Identification and analysis of conserved pockets on protein surfaces (1469 views)
Bmc Bioinformatics (ISSN: 1471-2105), 2013 Apr 22; 14: S9-S9.
Impact Factor: 2.672
View Export to BibTeX Export to EndNote
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (531 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
View Export to BibTeX Export to EndNote
Cella L, Conson M, Pressello MC, Molinelli S, Schneider U, Donato V, Orecchia R, Salvatore M, Pacelli R
* Hodgkin's lymphoma emerging radiation treatment techniques: Trade-offs between late radio-induced toxicities and secondary malignant neoplasms (486 views)
Radiat Oncol Radiation Oncology (ISSN: 1748-717x), 2013 Jan 30; 8(1): 22-22.
Impact Factor: 2.36
View Export to BibTeX Export to EndNote
Gustavsson T, Sarkar S, Vaya I, Jimenez MC, Markovitsi D, Improta R
* A joint experimental/theoretical study of the ultrafast excited state deactivation of deoxyadenosine and 9-methyladenine in water and acetonitrile (436 views)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1375-1386.
Impact Factor: 2.939
View Export to BibTeX Export to EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (427 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
View Export to BibTeX Export to EndNote
Pedicini P, Caivano R, Jereczek-Fossa BA, Strigari L, Vischioni B, Alterio D, Cremonesi M, Botta F, Nappi A, Improta G, Storto G, Benassi M, Orecchia R
* Modelling the correlation between EGFr expression and tumour cell radiosensitivity, and combined treatments of radiation and monoclonal antibody EGFr inhibitors (473 views)
Theor Biol Med Model (ISSN: 1742-4682), 2012 Jun 19; 9(1): 23-23.
Impact Factor: 1.461
View Export to BibTeX Export to EndNote
Alfano B, Comerci M, Larobina M, Prinster A, Hornak JP, Selvan SE, Amato U, Quarantelli M, Tedeschi G, Brunetti A, Salvatore M
* An MRI digital brain phantom for validation of segmentation methods (631 views) (PDF 694 views)
Med Image Anal (ISSN: 1361-8415, 1361-8423, 1361-8415linking), 2011 Jun; 15(3): 329-339.
Impact Factor: 4.424
View Export to BibTeX Export to EndNote
Troise F, Monti M, Merlino A, Cozzolino F, Fedele C, Russo Krauss I, Sica F, Pucci P, D'Alessio G, De Lorenzo C
* A novel ErbB2 epitope targeted by human antitumor immunoagents (504 views)
Febs Journal (ISSN: 1742-464x), 2011 Apr; 278(7): 1156-1166.
Impact Factor: 3.79
View Export to BibTeX Export to EndNote
Boechi L, Marti MA, Vergara A, Sica F, Mazzarella L, Estrin DA, Merlino A
* Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii (432 views)
Iubmb Life (ISSN: 1521-6543, 1521-6551), 2011 Mar; 63(3): 175-182.
Impact Factor: 3.514
View Export to BibTeX Export to EndNote
Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
* Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease (656 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Feb 25; 17(9): 2752-2762.
Impact Factor: 5.925
View Export to BibTeX Export to EndNote
Gustavsson T, Banyasz A, Improta R, Markovitsi D
* Femtosecond fluorescence studies of DNA/RNA constituents (275 views)
J Phys Conf Ser (ISSN: 1742-6588), 2011; 261(1): 13-13.
Impact Factor: 0.895
View Export to BibTeX Export to EndNote
Varriale S, Merlino A, Coscia MR, Mazzarella L, Oreste U
* An evolutionary conserved motif is responsible for Immunoglobulin heavy chain packing in the B cell membrane (616 views)
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.
Impact Factor: 3.889
View Export to BibTeX Export to EndNote
Calvanese L, Marasco D, Doti N, Saporito A, D'Auria G, Paolillo L, Ruvo M, Falcigno L
* Structural Investigations on the Nodal-Cripto Binding: A Theoretical and Experimental Approach (653 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Nov; 93(11): 1011-1021.
Impact Factor: 2.572
View Export to BibTeX Export to EndNote
Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R
* The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study (482 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Langella E, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M, Esposito L, Hardré R
* Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors (471 views)
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2010 Sep 3; 5(9): 1568-1576.
Impact Factor: 3.306
View Export to BibTeX Export to EndNote
Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (342 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
View Export to BibTeX Export to EndNote
Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
* Structural analysis of a helical peptide unfolding pathway (589 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.
Impact Factor: 5.476
View Export to BibTeX Export to EndNote
Accardo A, Mansi R, Morisco A, Mangiapia G, Paduano L, Tesauro D, Radulescu A, Aurilio M, Aloj L, Arra C, Morelli G
* Peptide modified nanocarriers for selective targeting of bombesin receptors (498 views)
Mol Biosyst (ISSN: 1742-206x), 2010 May; 6(5): 878-887.
Impact Factor: 3.825
View Export to BibTeX Export to EndNote
Pensato S, Renda M, Leccia F, Saviano M, D'Andrea LD, Pedone C, Pedone PV, Romanelli A
* PNA zipper as a dimerization tool: development of a bZip mimic (733 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 May; 93(5): 434-441.
Impact Factor: 2.572
View Export to BibTeX Export to EndNote
Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (922 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
View Export to BibTeX Export to EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (322 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
View Export to BibTeX Export to EndNote
Pietropaolo A, Muccioli L, Zannoni C, Rizzarelli E
* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (623 views)
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.
Impact Factor: 3.453
View Export to BibTeX Export to EndNote
Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (950 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
View Export to BibTeX Export to EndNote
Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Molecular dynamics studies of the P pilus rod subunit PapA (744 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Impact Factor: 1.807
View Export to BibTeX Export to EndNote
Francalanci F, Avolio M, De Luca E, Longo DL, Menchise V, Guazzi P, Sgro F, Marino M, Goitre L, Balzac F, Trabalzini L, Retta SF
* Structural and functional differences between KRIT1A and KRIT1B isoforms: A framework for understanding CCM pathogenesis (676 views)
Exp Cell Res (ISSN: 0014-4827), 2009 Jan 15; 315(2): 285-303.
Impact Factor: 3.589
View Export to BibTeX Export to EndNote
Improta R, Ferrante C, Bozio R, Barone V
* The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study (493 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2009; 11(22): 4664-4673.
Impact Factor: 4.116
View Export to BibTeX Export to EndNote
Autiero I, Costantini S, Colonna G
Human sirt-1: molecular modeling and structure-function relationships of an unordered protein (6 views)
Plos One (ISSN: 1932-6203linking), 2008 Oct 8; 4 (10 ): e7350-N/D.
Impact Factor:
View Export to BibTeX Export to EndNote
Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (568 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
View Export to BibTeX Export to EndNote
De Simone A, Esposito L, Pedone C, Vitagliano L
* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (1056 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
Impact Factor: 4.683
View Export to BibTeX Export to EndNote
Merlino A, Sica F, Mazzarella L, Zagari A, Vergara A
* Correlation between Raman and X-ray crystallography data of (Pro-Pro-Gly)(10) (709 views)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2008 Sep; 137(1): 24-27.
Impact Factor: 2.362
View Export to BibTeX Export to EndNote
Dalla Serra M, Cirioni O, Vitale RM, Renzone G, Coraiola M, Giacometti A, Potrich C, Baroni E, Guella G, Sanseverino M, De Luca S, Scalise G, Amodeo P, Scaloni A
* Structural features of distinctin affecting peptide biological and biochemical properties (772 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 29; 47(30): 7888-7899.
Impact Factor: 3.379
View Export to BibTeX Export to EndNote
Santoro F, Lami A, Improta R, Bloino J, Barone V
* Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study (979 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2008 Jun 14; 128(22): 17-17.
Impact Factor: 3.149
View Export to BibTeX Export to EndNote
Esposito L, Paladino A, Pedone C, Vitagliano L
* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (531 views)
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2008 May 15; 94(10): 4031-4040.
Impact Factor: 4.683
View Export to BibTeX Export to EndNote
Pietropaolo A, Muccioli L, Zannoni C, La Mendola D, Maccarrone G, Pappalardo G, Rizzarelli E
* Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain (414 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Apr 24; 112(16): 5182-5188.
Impact Factor: 4.189
View Export to BibTeX Export to EndNote
Paladino A, Costantini S, Colonna G, Facchiano AM
Molecular modelling of miraculin: Structural analyses and functional hypotheses (27 views)
Biochem Biophys Res Commun (ISSN: 0006-291xlinking), 2008 Feb 29; 367 (1 ): 26-32.
Impact Factor:
View Export to BibTeX Export to EndNote
De Simone A, Pedone C, Vitagliano L
* Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF (599 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.
Impact Factor: 2.648
View Export to BibTeX Export to EndNote
Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (959 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
View Export to BibTeX Export to EndNote
Vergara A, Franzese M, Merlino A, Vitagliano L, Verde C, Di Prisco G, Lee HC, Peisach J, Mazzarella L
* Structural characterization of ferric hemoglobins from three Antarctic fish species of the suborder notothenioidei (476 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2007 Oct; 93(8): 2822-2829.
Impact Factor: 4.627
View Export to BibTeX Export to EndNote
Improta R, Scalmani G, Frisch MJ, Barone V
* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (706 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Santoro F, Lami A, Improta R, Barone V
* Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution (641 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 May 14; 126(18): 184102-184102.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Chambery A, Pisante M, Di Maro A, Di Zazzo E, Ruvo M, Costantini S, Colonna G, Parente A
* Invariant Ser211 is involved in the catalysis of PD-L4, type I RIP from Phytolacca dioica leaves (406 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Apr 1; 67(1): 209-218.
Impact Factor: 3.354
View Export to BibTeX Export to EndNote
Arena G, Deretzis I, Forte G, Giannazzo F, La Magna A, Lombardo G, Raineri V, Sgarlata C, Spoto G
* Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction (680 views)
New J Chem (ISSN: 1144-0546), 2007; 31(5): 756-761.
Impact Factor: 2.651
View Export to BibTeX Export to EndNote
Maestri R, Pinna G, Accardo A, Allegrini P, Balocchi R, D'ADDIO G, Ferrario M, Menicucci D, Porta A, Sassi R
* Nonlinear indices of heart rate variability in chronic heart failure patients: Redundancy and comparative clinical value (474 views)
J Cardiovasc Electrophysiol (ISSN: 1045-3873), 2007; 18(4): 425-433.
Impact Factor: 3.475
View Export to BibTeX Export to EndNote
Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (1080 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (971 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
Impact Factor: 9.643
View Export to BibTeX Export to EndNote
Langella E, Improta R, Crescenzi O, Barone V
* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (788 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
View Export to BibTeX Export to EndNote
Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
* Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX (808 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Merlino A, Esposito L, Vitagliano L
* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (737 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Impact Factor: 3.73
View Export to BibTeX Export to EndNote
Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L, Larobina M
* Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging (421 views)
Ieee Transactions On Nuclear Science (ISSN: 0018-9499), 2006 Jun; 53(3): 1078-1083.
Impact Factor: 1.497
View Export to BibTeX Export to EndNote
Galdiero S, Vitiello M, Amodeo P, D'Isanto M, Cantisani M, Pedone C, Galdiero M
* Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae (674 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Apr 11; 45(14): 4491-4501.
Impact Factor: 3.633
View Export to BibTeX Export to EndNote
Cappiello M, Alterio V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U
* A new spot test for sulfhydryl-containing compounds (510 views)
Anal Biochem, 2006 Mar 14; 79(1-2): 610-611.
Impact Factor: 2.305
View Export to BibTeX Export to EndNote
Mannini R, Rivieccio V, D'Auria S, Tanfani F, Ausili A, Pedone C, Grimaldi G, Facchiano A
* Structure/function of KRAB repression domains: Structural properties of KRAB modules inferred from hydrodynamic, circular dichroism, and FTIR spectroscopic analyses (836 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 15; 62(3): 604-616.
Impact Factor: 3.73
View Export to BibTeX Export to EndNote
De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (810 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
View Export to BibTeX Export to EndNote
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (878 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Pedone E, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
* Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study (521 views)
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.
Impact Factor: 6.901
View Export to BibTeX Export to EndNote
Vacatello M, D'Auria G, Falcigno L, Dettin M, Gambaretto R, Di Bello C, Paolillo L
* Conformational Analysis Of Novel Heparin Binding Peptides (851 views)
Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking), 2005 Jun; 26(16): 3207-3214.
Impact Factor: 4.698
View Export to BibTeX Export to EndNote
Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (627 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
View Export to BibTeX Export to EndNote
Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (678 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
View Export to BibTeX Export to EndNote
La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
* Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly (661 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2005 Mar 1; 435(1): 182-189.
Impact Factor: 3.152
View Export to BibTeX Export to EndNote
Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (736 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
View Export to BibTeX Export to EndNote
Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (897 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2005 Jan 20; 109(2): 1023-1033.
Impact Factor: 4.033
View Export to BibTeX Export to EndNote
Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (506 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
View Export to BibTeX Export to EndNote
Langella E, Improta R, Barone V
* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (569 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
View Export to BibTeX Export to EndNote
Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (688 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
View Export to BibTeX Export to EndNote
Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Dynamic properties of the N-terminal swapped dimer of ribonuclease (456 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.
Impact Factor: 4.585
View Export to BibTeX Export to EndNote
Quarantelli M, Berkouk K, Prinster A, Landeau B, Svarer C, Balkay L, Alfano B, Brunetti A, Baron JC, Salvatore M
* Integrated software for the analysis of brain PET/SPECT studies with partial-volume-effect correction (708 views) (PDF 285 views)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 2004 Feb; 45(2): 192-201.
Impact Factor: 5.362
View Export to BibTeX Export to EndNote
Barone V, Improta R, Rega N
* Computation of protein pK's values by an integrated density functional theory/Polarizable Continuum Model approach (371 views)
Theor Chem Acc (ISSN: 1432-881x), 2004; 111(2-6): 237-245.
Impact Factor: 2.209
View Export to BibTeX Export to EndNote
Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L, Larobina M
* Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging (509 views)
2004 Ieee Nuclear Science Symposium Conference Record Vols 1 7, 2004; 5: 2990-2994.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin (471 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.
Impact Factor: 4.313
View Export to BibTeX Export to EndNote
Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (482 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
View Export to BibTeX Export to EndNote
Kozarski M, Ferrari G, Clemente F, Gorczynska K, De Lazzari C, Darowski M, Mimmo R, Tosti G, Guaragno M
* A hybrid mock circulatory system: development and testing of an electro-hydraulic impedance simulator (417 views)
Int J Artif Organs (ISSN: 0391-3988, 0391-3988print), 2003 Jan; 26(1): 53-63.
Impact Factor: 0.964
View Export to BibTeX Export to EndNote
Vergara A, Lorber B, Zagari A, Giege R
* Physical aspects of protein crystal growth investigated with the advanced protein crystallization facility in reduced-gravity environments (692 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2003; 59(1): 2-15.
Impact Factor: 2.208
View Export to BibTeX Export to EndNote
Menziani MC, De Benedetti PG, Langella E, Barone V
* Seeking for binding determinants of the prion protein to human plasminogen (527 views)
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
View Export to BibTeX Export to EndNote
Clemente F, De Lazzari C, Darowski M, Ferrari G, Mimmo R, Guaragno M, Tosti G
* Study of systolic pressure variation (SPV) in presence of mechanical ventilation (699 views)
Int J Artif Organs (ISSN: 0391-3988, 0391-3988print), 2002 Apr; 25(4): 313-320.
Impact Factor: 1.192
View Export to BibTeX Export to EndNote
De Lazzari C, Darowski M, Ferrari G, Clemente F, Guaragno M
* Energetic parameter changes with mechanical ventilation in conjunction with BVAD assistance (683 views)
J Med Eng Technol (ISSN: 0309-1902), 2002 Mar; 26(2): 63-70.
Impact Factor: 0.538
View Export to BibTeX Export to EndNote
Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (798 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
View Export to BibTeX Export to EndNote
De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (526 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
Impact Factor: 1.451
View Export to BibTeX Export to EndNote
Saviano M, Romanelli A, Bucci E, Pedone C, Mischiati C, Bianchi N, Feriotto G, Borgatti M, Gambari R
Computational procedures to explain the different biological activity of DNA/DNA, DNA/PNA and PNA/PNA hybrid molecules mimicking NF-κB binding sites (704 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2000 Dec; 18(3): 353-362.
Impact Factor: 1.826
View Export to BibTeX Export to EndNote
Herscher LL, Cook JA, Pacelli R, Pass HI, Russo A, Mitchell JB
Principles of chemoradiation: Theoretical and practical considerations (513 views)
Oncology (ISSN: 0890-9091), 1999 Oct; 13(10SUPPL.5): 11-22.
Impact Factor: 0.933
View Export to BibTeX Export to EndNote
Quarantelli M, Alfano B, Larobina M, Tedeschi E, Brunetti A, Covelli EM, Ciarmiello A, Mainolfi C, Salvatore M
Frequency encoding for simultaneous display of multimodality images (894 views) (PDF 210 views)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 1999 Mar; 40(3): 442-447.
Impact Factor: 3.326
View Export to BibTeX Export to EndNote
Martínez JC, Viguera AR, Berisio R, Wilmanns M, Mateo PL, Filimonov VV, Serrano L
Thermodynamic analysis of α-spectrin SH3 and two of its circular permutants with different loop lengths: Discerning the reasons for rapid folding in proteins (1011 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1999 Jan 12; 38(2): 549-559.
Impact Factor: 4.493
View Export to BibTeX Export to EndNote
Vitagliano L, Adinolfi S, Riccio A, Sica F, Zagari A, Mazzarella L
Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2 ', 5 ')adenosine (564 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Sep; 7(8): 1691-1699.
Impact Factor: 4.44
View Export to BibTeX Export to EndNote
Rossi F, Saviano M, Di Talia P, Di Blasio B, Pedone C, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (1204 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (626 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (539 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
Impact Factor: 1.283
View Export to BibTeX Export to EndNote
Romano M, Cerra M, Salvatore M, Onorati A
Effects of ionizing radiations on the activity of valyl tRNA synthetase isolated from rat liver and from Morris hepatoma 7777 (862 views)
Tumori (ISSN: 0300-8916, 0300-8916print, 0300-8916linking), 1974 Jul; 60(4): 301-306.
Impact Factor: 0.408
View Export to BibTeX Export to EndNote
* Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches (111 views)
Acs Med Chem Lett, 2022; 13: 271-277.
Impact Factor: 4.632
View Export to BibTeX Export to EndNote
Mulliri S, Laaksonen A, Spanu P, Farris R, Farci M, Mingoia F, Roviello GN, Mocci F
* Spectroscopic and In Silico Studies on the Interaction of Substituted Pyrazolo[1, 2-a]benzo[1, 2, 3, 4]tetrazine-3-one Derivatives with c-Myc G4-DNA (191 views)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596), 2021 Jun 2; 22(11): 6028-6028.
Impact Factor: 5.923
View Export to BibTeX Export to EndNote
Villano D, Romdhane F, Irrera P, Consolino L, Anemone A, Zaiss M, Dastrù W, Longo DL
* A fast multislice sequence for 3D MRI-CEST pH imaging (173 views)
Magn Reson Med (ISSN: 0740-3194linking, 1522-2594electronic), 2021 Mar; 85(3): 1335-1349.
Impact Factor: 3.635
View Export to BibTeX Export to EndNote
Palma G, Monti S, Cella L
* Voxel-based analysis in radiation oncology: A methodological cookbook (120 views)
Phys Med (ISSN: 1120-1797linking), 2020 Jan; 69: 192-204.
Impact Factor: 2.485
View Export to BibTeX Export to EndNote
Zaiss M, Anemone A, Goerke S, Longo DL, Herz K, Pohmann R, Aime S, Rivlin M, Navon G, Golay X, Scheffler K
* Quantification of hydroxyl exchange of D-Glucose at physiological conditions for optimization of glucoCEST MRI at 3, 7 and 9. 4 Tesla (237 views)
Nmr Biomed (ISSN: 0952-3480linking, 1099-1492electronic), 2019 Sep; 32(9): e4113-e4113.
Impact Factor: 2.983
View Export to BibTeX Export to EndNote
Palma G, Monti S, Conson M, Pacelli R, Cella L
* Normal tissue complication probability (NTCP) models for modern radiation therapy (182 views)
Semin Oncol (ISSN: 0093-7754linking), 2019 Jun; 46(3): 210-218.
Impact Factor: 3.606
View Export to BibTeX Export to EndNote
Kujawa A, Kim M, Demetriou E, Anemone A, Livio Longo D, Zaiss M, Golay X
* Assessment of a clinically feasible Bayesian fitting algorithm using a simplified description of Chemical Exchange Saturation Transfer (CEST) imaging (89 views)
J Magn Reson (ISSN: 1090-7807linking), 2019 Mar; 300: 120-134.
Impact Factor: 2.586
View Export to BibTeX Export to EndNote
Perrella F, Raucci U, Chiariello MG, Chino M, Maglio O, Lombardi A, Rega N
* Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation (317 views)
Biopolymers (ISSN: 1097-0282electronic, 0006-3525linking, 0006-3525print), 2018 Aug; 109(10): e23225-e23225.
Impact Factor: 1.908
View Export to BibTeX Export to EndNote
Monti S, Pacelli R, Cella L, Palma G
* Inter-patient image registration algorithms to disentangle regional dose bioeffects (369 views) (PDF 176 views)
Sci Rep (ISSN: 2045-2322linking, 2045-2322electronic), 2018 Mar 20; 8(1): 4915-4918.
Impact Factor: 4.259
View Export to BibTeX Export to EndNote
Magrì A, Tabbì G, Breglia R, De Gioia L, Fantucci P, Bruschi M, Bonomo RP, La Mendola D
* Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation (573 views) (PDF 197 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Jul 04; 46(26): 8524-8538.
Impact Factor: 4.099
View Export to BibTeX Export to EndNote
Balasco N, Esposito L, Thind AS, Guarracino MR, Vitagliano L
* Dissection of Factors Affecting the Variability of the Peptide Bond Geometry and Planarity (689 views)
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2017; 2017: 2617629-2617629.
Impact Factor: 2.583
View Export to BibTeX Export to EndNote
Esposito R, Calvanese L, Cucciolito ME, D'Auria G, Falcigno L, Fiorini V, Pezzella P, Roviello G, Stagni S, Talarico G, Ruffo F
* Oxidative coupling of imino, amide platinum(II) complexes yields highly conjugated blue dimers (310 views)
Organometallics (ISSN: 0276-7333), 2017; 36(2): 384-390.
Impact Factor: 4.051
View Export to BibTeX Export to EndNote
Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
* A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases (396 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
View Export to BibTeX Export to EndNote
D'Avino V, Palma G, Liuzzi R, Conson M, Doria F, Salvatore M, Pacelli R, Cella L
* Prediction of gastrointestinal toxicity after external beam radiotherapy for localized prostate cancer (525 views)
Radiat Oncol (ISSN: 1748-717x), 2015 Apr 8; 10(1): 80-80.
Impact Factor: 2.466
View Export to BibTeX Export to EndNote
De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
* Cullin3 - BTB interface: A novel target for stapled peptides (803 views) (PDF 61 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 Apr 7; 10(4): e0121149-e0121149.
Impact Factor: 3.057
View Export to BibTeX Export to EndNote
Pica A, Graziano G
* On the effect of sodium chloride and sodium sulfate on cold denaturation (429 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015; 10(7): N/D-N/D.
Impact Factor: 3.057
View Export to BibTeX Export to EndNote
Monti S, Palma G, Ragucci M, Mannelli L, Mancini M, Prinster A
* Optimization of tagged MRI for quantification of liver stiffness using computer simulated data (1059 views) (PDF 206 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 31; 9(10): e111852-e111852.
Impact Factor: 3.234
View Export to BibTeX Export to EndNote
Pedicini P, Fiorentino A, Simeon V, Tini P, Chiumento C, Pirtoli L, Salvatore M, Storto G
* Clinical radiobiology of glioblastoma multiforme: estimation of tumor control probability from various radiotherapy fractionation schemes (497 views)
Strahlenther Onkol (ISSN: 0179-7158, 0179-7158linking), 2014 Oct; 190(10): 925-932.
Impact Factor: 2.914
View Export to BibTeX Export to EndNote
Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
* Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (467 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
View Export to BibTeX Export to EndNote
Zhang Y, Improta R, Kohler B
Mode-specific vibrational relaxation of photoexcited guanosine 5'-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical study (341 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014 Jan 28; 16(4): 1487-1499.
Impact Factor: 4.493
View Export to BibTeX Export to EndNote
Fratini A, Bifulco P, Romano M, Clemente F, Cesarelli M
* Simulation of surface EMG for the analysis of muscle activity during whole body vibratory stimulation (824 views)
Comput Meth Prog Bio (ISSN: 0169-2607), 2014 Jan; 113(1): 314-322.
Impact Factor: 1.897
View Export to BibTeX Export to EndNote
Galdiero S, Falanga A, Cantisani M, Vitiello M, Morelli G, Galdiero M
* Peptide-Lipid Interactions: Experiments and Applications (1391 views)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 Sep; 14(9): 18758-18789.
Impact Factor: 2.339
View Export to BibTeX Export to EndNote
De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (830 views)
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.
Impact Factor: 2.983
View Export to BibTeX Export to EndNote
Cammisa M, Correra A, Andreotti G, Cubellis MV
* Identification and analysis of conserved pockets on protein surfaces (1469 views)
Bmc Bioinformatics (ISSN: 1471-2105), 2013 Apr 22; 14: S9-S9.
Impact Factor: 2.672
View Export to BibTeX Export to EndNote
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (531 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
View Export to BibTeX Export to EndNote
Cella L, Conson M, Pressello MC, Molinelli S, Schneider U, Donato V, Orecchia R, Salvatore M, Pacelli R
* Hodgkin's lymphoma emerging radiation treatment techniques: Trade-offs between late radio-induced toxicities and secondary malignant neoplasms (486 views)
Radiat Oncol Radiation Oncology (ISSN: 1748-717x), 2013 Jan 30; 8(1): 22-22.
Impact Factor: 2.36
View Export to BibTeX Export to EndNote
Gustavsson T, Sarkar S, Vaya I, Jimenez MC, Markovitsi D, Improta R
* A joint experimental/theoretical study of the ultrafast excited state deactivation of deoxyadenosine and 9-methyladenine in water and acetonitrile (436 views)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1375-1386.
Impact Factor: 2.939
View Export to BibTeX Export to EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (427 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
View Export to BibTeX Export to EndNote
Pedicini P, Caivano R, Jereczek-Fossa BA, Strigari L, Vischioni B, Alterio D, Cremonesi M, Botta F, Nappi A, Improta G, Storto G, Benassi M, Orecchia R
* Modelling the correlation between EGFr expression and tumour cell radiosensitivity, and combined treatments of radiation and monoclonal antibody EGFr inhibitors (473 views)
Theor Biol Med Model (ISSN: 1742-4682), 2012 Jun 19; 9(1): 23-23.
Impact Factor: 1.461
View Export to BibTeX Export to EndNote
Alfano B, Comerci M, Larobina M, Prinster A, Hornak JP, Selvan SE, Amato U, Quarantelli M, Tedeschi G, Brunetti A, Salvatore M
* An MRI digital brain phantom for validation of segmentation methods (631 views) (PDF 694 views)
Med Image Anal (ISSN: 1361-8415, 1361-8423, 1361-8415linking), 2011 Jun; 15(3): 329-339.
Impact Factor: 4.424
View Export to BibTeX Export to EndNote
Troise F, Monti M, Merlino A, Cozzolino F, Fedele C, Russo Krauss I, Sica F, Pucci P, D'Alessio G, De Lorenzo C
* A novel ErbB2 epitope targeted by human antitumor immunoagents (504 views)
Febs Journal (ISSN: 1742-464x), 2011 Apr; 278(7): 1156-1166.
Impact Factor: 3.79
View Export to BibTeX Export to EndNote
Boechi L, Marti MA, Vergara A, Sica F, Mazzarella L, Estrin DA, Merlino A
* Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii (432 views)
Iubmb Life (ISSN: 1521-6543, 1521-6551), 2011 Mar; 63(3): 175-182.
Impact Factor: 3.514
View Export to BibTeX Export to EndNote
Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
* Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease (656 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Feb 25; 17(9): 2752-2762.
Impact Factor: 5.925
View Export to BibTeX Export to EndNote
Gustavsson T, Banyasz A, Improta R, Markovitsi D
* Femtosecond fluorescence studies of DNA/RNA constituents (275 views)
J Phys Conf Ser (ISSN: 1742-6588), 2011; 261(1): 13-13.
Impact Factor: 0.895
View Export to BibTeX Export to EndNote
Varriale S, Merlino A, Coscia MR, Mazzarella L, Oreste U
* An evolutionary conserved motif is responsible for Immunoglobulin heavy chain packing in the B cell membrane (616 views)
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.
Impact Factor: 3.889
View Export to BibTeX Export to EndNote
Calvanese L, Marasco D, Doti N, Saporito A, D'Auria G, Paolillo L, Ruvo M, Falcigno L
* Structural Investigations on the Nodal-Cripto Binding: A Theoretical and Experimental Approach (653 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Nov; 93(11): 1011-1021.
Impact Factor: 2.572
View Export to BibTeX Export to EndNote
Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R
* The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study (482 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Langella E, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M, Esposito L, Hardré R
* Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors (471 views)
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2010 Sep 3; 5(9): 1568-1576.
Impact Factor: 3.306
View Export to BibTeX Export to EndNote
Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (342 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
View Export to BibTeX Export to EndNote
Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
* Structural analysis of a helical peptide unfolding pathway (589 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.
Impact Factor: 5.476
View Export to BibTeX Export to EndNote
Accardo A, Mansi R, Morisco A, Mangiapia G, Paduano L, Tesauro D, Radulescu A, Aurilio M, Aloj L, Arra C, Morelli G
* Peptide modified nanocarriers for selective targeting of bombesin receptors (498 views)
Mol Biosyst (ISSN: 1742-206x), 2010 May; 6(5): 878-887.
Impact Factor: 3.825
View Export to BibTeX Export to EndNote
Pensato S, Renda M, Leccia F, Saviano M, D'Andrea LD, Pedone C, Pedone PV, Romanelli A
* PNA zipper as a dimerization tool: development of a bZip mimic (733 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 May; 93(5): 434-441.
Impact Factor: 2.572
View Export to BibTeX Export to EndNote
Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (922 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
View Export to BibTeX Export to EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (322 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
View Export to BibTeX Export to EndNote
Pietropaolo A, Muccioli L, Zannoni C, Rizzarelli E
* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (623 views)
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.
Impact Factor: 3.453
View Export to BibTeX Export to EndNote
Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (950 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
View Export to BibTeX Export to EndNote
Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Molecular dynamics studies of the P pilus rod subunit PapA (744 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Impact Factor: 1.807
View Export to BibTeX Export to EndNote
Francalanci F, Avolio M, De Luca E, Longo DL, Menchise V, Guazzi P, Sgro F, Marino M, Goitre L, Balzac F, Trabalzini L, Retta SF
* Structural and functional differences between KRIT1A and KRIT1B isoforms: A framework for understanding CCM pathogenesis (676 views)
Exp Cell Res (ISSN: 0014-4827), 2009 Jan 15; 315(2): 285-303.
Impact Factor: 3.589
View Export to BibTeX Export to EndNote
Improta R, Ferrante C, Bozio R, Barone V
* The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study (493 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2009; 11(22): 4664-4673.
Impact Factor: 4.116
View Export to BibTeX Export to EndNote
Autiero I, Costantini S, Colonna G
Human sirt-1: molecular modeling and structure-function relationships of an unordered protein (6 views)
Plos One (ISSN: 1932-6203linking), 2008 Oct 8; 4 (10 ): e7350-N/D.
Impact Factor:
View Export to BibTeX Export to EndNote
Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (568 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
View Export to BibTeX Export to EndNote
De Simone A, Esposito L, Pedone C, Vitagliano L
* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (1056 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
Impact Factor: 4.683
View Export to BibTeX Export to EndNote
Merlino A, Sica F, Mazzarella L, Zagari A, Vergara A
* Correlation between Raman and X-ray crystallography data of (Pro-Pro-Gly)(10) (709 views)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2008 Sep; 137(1): 24-27.
Impact Factor: 2.362
View Export to BibTeX Export to EndNote
Dalla Serra M, Cirioni O, Vitale RM, Renzone G, Coraiola M, Giacometti A, Potrich C, Baroni E, Guella G, Sanseverino M, De Luca S, Scalise G, Amodeo P, Scaloni A
* Structural features of distinctin affecting peptide biological and biochemical properties (772 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 29; 47(30): 7888-7899.
Impact Factor: 3.379
View Export to BibTeX Export to EndNote
Santoro F, Lami A, Improta R, Bloino J, Barone V
* Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study (979 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2008 Jun 14; 128(22): 17-17.
Impact Factor: 3.149
View Export to BibTeX Export to EndNote
Esposito L, Paladino A, Pedone C, Vitagliano L
* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (531 views)
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2008 May 15; 94(10): 4031-4040.
Impact Factor: 4.683
View Export to BibTeX Export to EndNote
Pietropaolo A, Muccioli L, Zannoni C, La Mendola D, Maccarrone G, Pappalardo G, Rizzarelli E
* Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain (414 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Apr 24; 112(16): 5182-5188.
Impact Factor: 4.189
View Export to BibTeX Export to EndNote
Paladino A, Costantini S, Colonna G, Facchiano AM
Molecular modelling of miraculin: Structural analyses and functional hypotheses (27 views)
Biochem Biophys Res Commun (ISSN: 0006-291xlinking), 2008 Feb 29; 367 (1 ): 26-32.
Impact Factor:
View Export to BibTeX Export to EndNote
De Simone A, Pedone C, Vitagliano L
* Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF (599 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.
Impact Factor: 2.648
View Export to BibTeX Export to EndNote
Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (959 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
View Export to BibTeX Export to EndNote
Vergara A, Franzese M, Merlino A, Vitagliano L, Verde C, Di Prisco G, Lee HC, Peisach J, Mazzarella L
* Structural characterization of ferric hemoglobins from three Antarctic fish species of the suborder notothenioidei (476 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2007 Oct; 93(8): 2822-2829.
Impact Factor: 4.627
View Export to BibTeX Export to EndNote
Improta R, Scalmani G, Frisch MJ, Barone V
* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (706 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Santoro F, Lami A, Improta R, Barone V
* Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution (641 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 May 14; 126(18): 184102-184102.
Impact Factor: 3.044
View Export to BibTeX Export to EndNote
Chambery A, Pisante M, Di Maro A, Di Zazzo E, Ruvo M, Costantini S, Colonna G, Parente A
* Invariant Ser211 is involved in the catalysis of PD-L4, type I RIP from Phytolacca dioica leaves (406 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Apr 1; 67(1): 209-218.
Impact Factor: 3.354
View Export to BibTeX Export to EndNote
Arena G, Deretzis I, Forte G, Giannazzo F, La Magna A, Lombardo G, Raineri V, Sgarlata C, Spoto G
* Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction (680 views)
New J Chem (ISSN: 1144-0546), 2007; 31(5): 756-761.
Impact Factor: 2.651
View Export to BibTeX Export to EndNote
Maestri R, Pinna G, Accardo A, Allegrini P, Balocchi R, D'ADDIO G, Ferrario M, Menicucci D, Porta A, Sassi R
* Nonlinear indices of heart rate variability in chronic heart failure patients: Redundancy and comparative clinical value (474 views)
J Cardiovasc Electrophysiol (ISSN: 1045-3873), 2007; 18(4): 425-433.
Impact Factor: 3.475
View Export to BibTeX Export to EndNote
Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (1080 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (971 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
Impact Factor: 9.643
View Export to BibTeX Export to EndNote
Langella E, Improta R, Crescenzi O, Barone V
* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (788 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
View Export to BibTeX Export to EndNote
Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
* Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX (808 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Merlino A, Esposito L, Vitagliano L
* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (737 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Impact Factor: 3.73
View Export to BibTeX Export to EndNote
Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L, Larobina M
* Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging (421 views)
Ieee Transactions On Nuclear Science (ISSN: 0018-9499), 2006 Jun; 53(3): 1078-1083.
Impact Factor: 1.497
View Export to BibTeX Export to EndNote
Galdiero S, Vitiello M, Amodeo P, D'Isanto M, Cantisani M, Pedone C, Galdiero M
* Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae (674 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Apr 11; 45(14): 4491-4501.
Impact Factor: 3.633
View Export to BibTeX Export to EndNote
Cappiello M, Alterio V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U
* A new spot test for sulfhydryl-containing compounds (510 views)
Anal Biochem, 2006 Mar 14; 79(1-2): 610-611.
Impact Factor: 2.305
View Export to BibTeX Export to EndNote
Mannini R, Rivieccio V, D'Auria S, Tanfani F, Ausili A, Pedone C, Grimaldi G, Facchiano A
* Structure/function of KRAB repression domains: Structural properties of KRAB modules inferred from hydrodynamic, circular dichroism, and FTIR spectroscopic analyses (836 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 15; 62(3): 604-616.
Impact Factor: 3.73
View Export to BibTeX Export to EndNote
De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (810 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
View Export to BibTeX Export to EndNote
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (878 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Pedone E, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
* Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study (521 views)
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.
Impact Factor: 6.901
View Export to BibTeX Export to EndNote
Vacatello M, D'Auria G, Falcigno L, Dettin M, Gambaretto R, Di Bello C, Paolillo L
* Conformational Analysis Of Novel Heparin Binding Peptides (851 views)
Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking), 2005 Jun; 26(16): 3207-3214.
Impact Factor: 4.698
View Export to BibTeX Export to EndNote
Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (627 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
View Export to BibTeX Export to EndNote
Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (678 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
View Export to BibTeX Export to EndNote
La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
* Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly (661 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2005 Mar 1; 435(1): 182-189.
Impact Factor: 3.152
View Export to BibTeX Export to EndNote
Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (736 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
View Export to BibTeX Export to EndNote
Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (897 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2005 Jan 20; 109(2): 1023-1033.
Impact Factor: 4.033
View Export to BibTeX Export to EndNote
Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (506 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
View Export to BibTeX Export to EndNote
Langella E, Improta R, Barone V
* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (569 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
View Export to BibTeX Export to EndNote
Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (688 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
View Export to BibTeX Export to EndNote
Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Dynamic properties of the N-terminal swapped dimer of ribonuclease (456 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.
Impact Factor: 4.585
View Export to BibTeX Export to EndNote
Quarantelli M, Berkouk K, Prinster A, Landeau B, Svarer C, Balkay L, Alfano B, Brunetti A, Baron JC, Salvatore M
* Integrated software for the analysis of brain PET/SPECT studies with partial-volume-effect correction (708 views) (PDF 285 views)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 2004 Feb; 45(2): 192-201.
Impact Factor: 5.362
View Export to BibTeX Export to EndNote
Barone V, Improta R, Rega N
* Computation of protein pK's values by an integrated density functional theory/Polarizable Continuum Model approach (371 views)
Theor Chem Acc (ISSN: 1432-881x), 2004; 111(2-6): 237-245.
Impact Factor: 2.209
View Export to BibTeX Export to EndNote
Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L, Larobina M
* Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging (509 views)
2004 Ieee Nuclear Science Symposium Conference Record Vols 1 7, 2004; 5: 2990-2994.
Impact Factor: 0
View Export to BibTeX Export to EndNote
Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin (471 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.
Impact Factor: 4.313
View Export to BibTeX Export to EndNote
Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (482 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
View Export to BibTeX Export to EndNote
Kozarski M, Ferrari G, Clemente F, Gorczynska K, De Lazzari C, Darowski M, Mimmo R, Tosti G, Guaragno M
* A hybrid mock circulatory system: development and testing of an electro-hydraulic impedance simulator (417 views)
Int J Artif Organs (ISSN: 0391-3988, 0391-3988print), 2003 Jan; 26(1): 53-63.
Impact Factor: 0.964
View Export to BibTeX Export to EndNote
Vergara A, Lorber B, Zagari A, Giege R
* Physical aspects of protein crystal growth investigated with the advanced protein crystallization facility in reduced-gravity environments (692 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2003; 59(1): 2-15.
Impact Factor: 2.208
View Export to BibTeX Export to EndNote
Menziani MC, De Benedetti PG, Langella E, Barone V
* Seeking for binding determinants of the prion protein to human plasminogen (527 views)
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
View Export to BibTeX Export to EndNote
Clemente F, De Lazzari C, Darowski M, Ferrari G, Mimmo R, Guaragno M, Tosti G
* Study of systolic pressure variation (SPV) in presence of mechanical ventilation (699 views)
Int J Artif Organs (ISSN: 0391-3988, 0391-3988print), 2002 Apr; 25(4): 313-320.
Impact Factor: 1.192
View Export to BibTeX Export to EndNote
De Lazzari C, Darowski M, Ferrari G, Clemente F, Guaragno M
* Energetic parameter changes with mechanical ventilation in conjunction with BVAD assistance (683 views)
J Med Eng Technol (ISSN: 0309-1902), 2002 Mar; 26(2): 63-70.
Impact Factor: 0.538
View Export to BibTeX Export to EndNote
Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (798 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
View Export to BibTeX Export to EndNote
De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (526 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
Impact Factor: 1.451
View Export to BibTeX Export to EndNote
Saviano M, Romanelli A, Bucci E, Pedone C, Mischiati C, Bianchi N, Feriotto G, Borgatti M, Gambari R
Computational procedures to explain the different biological activity of DNA/DNA, DNA/PNA and PNA/PNA hybrid molecules mimicking NF-κB binding sites (704 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2000 Dec; 18(3): 353-362.
Impact Factor: 1.826
View Export to BibTeX Export to EndNote
Herscher LL, Cook JA, Pacelli R, Pass HI, Russo A, Mitchell JB
Principles of chemoradiation: Theoretical and practical considerations (513 views)
Oncology (ISSN: 0890-9091), 1999 Oct; 13(10SUPPL.5): 11-22.
Impact Factor: 0.933
View Export to BibTeX Export to EndNote
Quarantelli M, Alfano B, Larobina M, Tedeschi E, Brunetti A, Covelli EM, Ciarmiello A, Mainolfi C, Salvatore M
Frequency encoding for simultaneous display of multimodality images (894 views) (PDF 210 views)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 1999 Mar; 40(3): 442-447.
Impact Factor: 3.326
View Export to BibTeX Export to EndNote
Martínez JC, Viguera AR, Berisio R, Wilmanns M, Mateo PL, Filimonov VV, Serrano L
Thermodynamic analysis of α-spectrin SH3 and two of its circular permutants with different loop lengths: Discerning the reasons for rapid folding in proteins (1011 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1999 Jan 12; 38(2): 549-559.
Impact Factor: 4.493
View Export to BibTeX Export to EndNote
Vitagliano L, Adinolfi S, Riccio A, Sica F, Zagari A, Mazzarella L
Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2 ', 5 ')adenosine (564 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Sep; 7(8): 1691-1699.
Impact Factor: 4.44
View Export to BibTeX Export to EndNote
Rossi F, Saviano M, Di Talia P, Di Blasio B, Pedone C, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (1204 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (626 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
View Export to BibTeX Export to EndNote
Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (539 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
Impact Factor: 1.283
View Export to BibTeX Export to EndNote
Romano M, Cerra M, Salvatore M, Onorati A
Effects of ionizing radiations on the activity of valyl tRNA synthetase isolated from rat liver and from Morris hepatoma 7777 (862 views)
Tumori (ISSN: 0300-8916, 0300-8916print, 0300-8916linking), 1974 Jul; 60(4): 301-306.
Impact Factor: 0.408
View Export to BibTeX Export to EndNote
109 Records (103 excluding Abstracts).
Total impact factor: 388.657 (374.392 excluding Abstracts).
Total 5 year impact factor: 399.799 (384.107 excluding Abstracts).
Total impact factor: 388.657 (374.392 excluding Abstracts).
Total 5 year impact factor: 399.799 (384.107 excluding Abstracts).
198 views. Last view on Sunday 21 July 2024, 22:42:16
ibb.cnr.it
